%chk=000170949.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170949

0 1
 O   -1.727000       1.124400      -2.214800    
 O   -1.651500      0.2218000       2.493800    
 C    2.544200       1.029500      0.1396000    
 C    3.277500     -0.2906000     -0.1241000    
 C    1.041500      0.9024000      0.1395000    
 C    4.801400     -0.1558000     -4.4799998E-02
 C   -3.211600      0.5460000      0.1396000    
 C   -1.722000      0.6706000      0.1396000    
 C   -3.671500     -0.8936000     -0.1286000    
 C    5.489200      -1.499700     -0.2884000    
 C   -1.046000      0.9558000      -1.046800    
 C   -1.008000      0.5019000       1.325800    
 C   0.3440000       1.072300      -1.046800    
 C   0.3820000      0.6184000       1.325800    
 C   -5.195800      -1.001700     -0.1652000    
 C    7.000500      -1.380700     -0.1729000    
 C   -5.646900      -2.421000     -0.4713000    
 H    2.996000     -0.6723000      -1.113900    
 H    2.945000      -1.041600      0.6041000    
 H    2.846000       1.772900     -0.6100000    
 H    2.868200       1.443500       1.103700    
 H    5.144300      0.5759000     -0.7862000    
 H    5.082400      0.2279000      0.9434000    
 H   -3.611700      0.8746000       1.108200    
 H   -3.668600       1.241000     -0.5755000    
 H   -3.259700      -1.245700      -1.082800    
 H   -3.275900      -1.561000      0.6476000    
 H    5.231500      -1.874200      -1.285900    
 H    5.131800      -2.238700      0.4382000    
 H   0.8680000       1.292900      -1.973100    
 H   0.9425000      0.4855000       2.247500    
 H   -5.613800     -0.6891000      0.7987000    
 H   -5.598500     -0.3258000     -0.9286000    
 H    7.292200      -1.040600      0.8259000    
 H    7.472000      -2.352100     -0.3521000    
 H    7.395200     -0.6708000     -0.9067000    
 H   -5.285500      -3.119900      0.2898000    
 H   -5.272900      -2.750200      -1.446000    
 H   -6.739800      -2.475400     -0.4909000    
 H   -2.600900      0.7070000      -2.168800    
 H  -0.9950000      0.1386000       3.206500    


%chk=000170949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170949

0 1
O -1.675172 0.996765 -2.248893
O -1.751359 0.438482 2.586262
C 2.615978 1.100353 0.201029
C 3.299345 -0.274336 -0.043771
C 1.097322 1.004716 0.203906
C 4.841712 -0.188905 -0.049320
C -3.276750 0.529883 0.195486
C -1.768866 0.714173 0.199397
C -3.712461 -0.915243 -0.184337
C 5.522116 -1.554573 -0.298430
C -1.031961 0.924565 -0.997371
C -1.015762 0.652469 1.398071
C 0.371941 1.072283 -1.006852
C 0.390375 0.795311 1.414376
C -5.247513 -1.083757 -0.223769
C 7.063907 -1.468801 -0.303963
C -5.681973 -2.522732 -0.575953
H 2.944891 -0.685666 -1.010168
H 2.967793 -0.988102 0.737418
H 2.948393 1.804889 -0.586480
H 2.973980 1.507653 1.167403
H 5.168424 0.530618 -0.829455
H 5.193030 0.224002 0.919928
H -3.666903 0.761302 1.201353
H -3.764567 1.255541 -0.493929
H -3.280435 -1.203334 -1.165253
H -3.282290 -1.614816 0.558307
H 5.169460 -1.964676 -1.266667
H 5.192886 -2.272370 0.480520
H 0.877668 1.238799 -1.963054
H 0.940778 0.745194 2.363911
H -5.667895 -0.799382 0.762223
H -5.678930 -0.374864 -0.961150
H 7.443610 -1.090201 0.663961
H 7.524281 -2.457792 -0.483822
H 7.419843 -0.781582 -1.094729
H -5.290669 -3.245821 0.164143
H -5.299517 -2.821840 -1.570116
H -6.783064 -2.620291 -0.593972
H -2.654021 0.899329 -2.140213
H -1.144823 0.435161 3.367072


